N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide

C16H14N4O — CID 62848464

IUPACN-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide
SMILESCN(C(=O)c1cccc2ncccc12)c1ccncc1N
InChIInChI=1S/C16H14N4O/c1-20(15-7-9-18-10-13(15)17)16(21)12-4-2-6-14-11(12)5-3-8-19-14/h2-10H,17H2,1H3
InChIKeySNRCHDWDYJHSHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.49
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide

N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide (PubChem CID 62848464) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide
PubChem CID62848464
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide
SMILESCN(C(=O)c1cccc2ncccc12)c1ccncc1N
InChIInChI=1S/C16H14N4O/c1-20(15-7-9-18-10-13(15)17)16(21)12-4-2-6-14-11(12)5-3-8-19-14/h2-10H,17H2,1H3
InChIKeySNRCHDWDYJHSHW-UHFFFAOYSA-N
XLogP2.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide (CID 62848464) is N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide is CN(C(=O)c1cccc2ncccc12)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide?
The InChIKey is SNRCHDWDYJHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20(15-7-9-18-10-13(15)17)16(21)12-4-2-6-14-11(12)5-3-8-19-14/h2-10H,17H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide?
N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 62848464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).